N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide

C13H16N4O2S — CID 47343061

IUPACN-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCCc1nc(NC(=O)c2ccc(=O)[nH]n2)sc1CC
InChIInChI=1S/C13H16N4O2S/c1-3-5-8-10(4-2)20-13(14-8)15-12(19)9-6-7-11(18)17-16-9/h6-7H,3-5H2,1-2H3,(H,17,18)(H,14,15,19)
InChIKeyDMUPGPVSCBZFMZ-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.99
Rot. Bonds5

About N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide

N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 47343061) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID47343061
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCCc1nc(NC(=O)c2ccc(=O)[nH]n2)sc1CC
InChIInChI=1S/C13H16N4O2S/c1-3-5-8-10(4-2)20-13(14-8)15-12(19)9-6-7-11(18)17-16-9/h6-7H,3-5H2,1-2H3,(H,17,18)(H,14,15,19)
InChIKeyDMUPGPVSCBZFMZ-UHFFFAOYSA-N
XLogP1.99
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide (CID 47343061) is N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide is CCCc1nc(NC(=O)c2ccc(=O)[nH]n2)sc1CC.
What is the InChIKey of N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is DMUPGPVSCBZFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-3-5-8-10(4-2)20-13(14-8)15-12(19)9-6-7-11(18)17-16-9/h6-7H,3-5H2,1-2H3,(H,17,18)(H,14,15,19).
What are the key properties of N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 47343061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).